LAMMPS (5 May 2020)
newton          on
units           metal
lattice         sc 1.0
Lattice spacing in x,y,z = 1 1 1
boundary        p p fs
neighbor        1.0 bin
neigh_modify    every 5 delay 0 check yes

atom_style      mesont
#               cut, path, BendingMode, TPMType
pair_style      mesont/tpm 30.0 MESONT-TABTP_10_10.xrs 1 0
read_data       data.film
  orthogonal box = (-2500 -2500 -300) to (2500 2500 402.42)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  79596 atoms
  read_data CPU = 0.0860629 secs
pair_coeff      * *

velocity        all create 600.0 2019
timestep        0.01
fix             1 all nve
thermo          10
reset_timestep  0

compute         Es all mesont estretch
compute         Eb all mesont ebend
compute         Et all mesont etube
compute         B all property/atom buckling

thermo_style    custom step time temp etotal ke pe c_Es c_Eb c_Et
#dump            out_dump all custom 10 dump.film id type x y z c_Es c_Eb c_Et c_B ix iy iz

run             20
Neighbor list info ...
  update every 5 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 31
  ghost atom cutoff = 31
  binsize = 15.5, bins = 323 323 26
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair mesont/tpm, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 37.43 | 37.43 | 37.43 Mbytes
Step Time Temp TotEng KinEng PotEng c_Es c_Eb c_Et 
       0            0          600    1347.2158    6173.0767   -4825.8609    28.669574     21.29406   -4875.8245 
      10          0.1    389.40755    1373.7864    4006.4045   -2632.6181    848.00267    1404.4323    -4885.053 
      20          0.2    313.65714    1399.9427    3227.0494   -1827.1067    1201.1732    1882.1342   -4910.4141 
Loop time of 10.2438 on 1 procs for 20 steps with 79596 atoms

Performance: 1.687 ns/day, 14.228 hours/ns, 1.952 timesteps/s
99.0% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.226     | 10.226     | 10.226     |   0.0 | 99.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00081086 | 0.00081086 | 0.00081086 |   0.0 |  0.01
Output  | 0.00046563 | 0.00046563 | 0.00046563 |   0.0 |  0.00
Modify  | 0.015165   | 0.015165   | 0.015165   |   0.0 |  0.15
Other   |            | 0.001869   |            |       |  0.02

Nlocal:    79596 ave 79596 max 79596 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    1879 ave 1879 max 1879 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  642270 ave 642270 max 642270 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 642270
Ave neighs/atom = 8.06912
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:11
